C71H72N16O9S — CID 157134732
N-cyclopropyl-3-[1-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-3-[1-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide (PubChem CID 157134732) has the molecular formula C71H72N16O9S and a molecular weight of 1325.53 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-3-[1-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide.
| Compound Name | N-cyclopropyl-3-[1-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-3-[1-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide |
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| PubChem CID | 157134732 |
| Molecular Formula | C71H72N16O9S |
| Molecular Weight | 1325.53 g/mol |
| Exact Mass | 1324.54 |
| IUPAC Name | N-cyclopropyl-3-[1-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-3-[1-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide |
| SMILES | COCCOc1ccn2c(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)cnc2c1.COc1ccn2c(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)cnc2c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)(=O)N4CCOCC4)cn23)c1 |
| InChI | InChI=1S/C25H26N6O4S.C24H25N5O3.C22H21N5O2/c1-17-2-3-18(25(32)28-20-4-5-20)12-22(17)19-13-27-31(15-19)24-14-26-23-7-6-21(16-30(23)24)36(33,34)29-8-10-35-11-9-29;1-16-3-4-17(24(30)27-19-5-6-19)11-21(16)18-13-26-29(15-18)23-14-25-22-12-20(7-8-28(22)23)32-10-9-31-2;1-14-3-4-15(22(28)25-17-5-6-17)9-19(14)16-11-24-27(13-16)21-12-23-20-10-18(29-2)7-8-26(20)21/h2-3,6-7,12-16,20H,4-5,8-11H2,1H3,(H,28,32);3-4,7-8,11-15,19H,5-6,9-10H2,1-2H3,(H,27,30);3-4,7-13,17H,5-6H2,1-2H3,(H,25,28) |
| InChIKey | AJMLHQFVELNPBB-UHFFFAOYSA-N |
| XLogP | 9.22 |
| TPSA | 266.96 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 97 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1325.53 |
| LogP ≤ 5 | 9.22 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 21 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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